SCHEMBL2397980

SCHEMBL2397980

CC(C)(C)OC(=O)N1CCCC(=O)C(=Cc2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ HSD11B1 P28845 2/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12266171 1.00 ACHE (0.44) ACHEPAX8HSD11B1ESR2NR1H2
SCHEMBL1030522 0.93 ACHE (0.46) ACHEPAX8HSD11B1ESR2NR1H2
SCHEMBL1030521 0.93 ACHE (0.46) ACHEPAX8HSD11B1ESR2NR1H2
SCHEMBL5341383 0.85 ESR2 (0.43) ESR2NR1H2GRM5GRM1POLB
SCHEMBL5341385 0.85 ESR2 (0.43) ESR2NR1H2GRM5GRM1POLB
SCHEMBL21369533 0.85 ESR2 (0.43) ESR2NR1H2GRM5GRM1POLB
SCHEMBL25625337 0.81 MAPK1 (0.50) ACHEESR2NR1H2GRM5GRM1
SCHEMBL5447566 0.80 MEN1 (0.38) HSD11B1GRM5GRM1POLBMEN1
SCHEMBL20015582 0.80 GRM5 (0.43) ESR2NR1H2GRM5GRM1POLB
SCHEMBL20015306 0.80 GRM5 (0.43) ESR2NR1H2GRM5GRM1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012957-B2 Tetrahydro-1H-1,2,6-triaza-azulene cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 — — US disclosed
US-20070259853-A1 TETRAHYDRO-1H-1,2,6-TRIAZA-AZULENE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259853-A1 TETRAHYDRO-1H-1,2,6-TRIAZA-AZULENE CANNABINOID MODULATORS CNR1, CNR2, GPR18 ACHE 2118/4885PAX8 4294/4885HSD11B1 482/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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